1-[1-benzothiophen-3-yl-(2,3-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(2,3-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(2,3-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(2,3-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(2,3-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(2,3-dimethoxyphenyl)methyl]proline Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O

InChI

InChI=1S/C22H23NO4S/c1-26-18-10-5-8-15(21(18)27-2)20(23-12-6-9-17(23)22(24)25)16-13-28-19-11-4-3-7-14(16)19/h3-5,7-8,10-11,13,17,20H,6,9,12H2,1-2H3,(H,24,25)